-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy path1B0B.pdb
1710 lines (1710 loc) · 135 KB
/
1B0B.pdb
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
733
734
735
736
737
738
739
740
741
742
743
744
745
746
747
748
749
750
751
752
753
754
755
756
757
758
759
760
761
762
763
764
765
766
767
768
769
770
771
772
773
774
775
776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
791
792
793
794
795
796
797
798
799
800
801
802
803
804
805
806
807
808
809
810
811
812
813
814
815
816
817
818
819
820
821
822
823
824
825
826
827
828
829
830
831
832
833
834
835
836
837
838
839
840
841
842
843
844
845
846
847
848
849
850
851
852
853
854
855
856
857
858
859
860
861
862
863
864
865
866
867
868
869
870
871
872
873
874
875
876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901
902
903
904
905
906
907
908
909
910
911
912
913
914
915
916
917
918
919
920
921
922
923
924
925
926
927
928
929
930
931
932
933
934
935
936
937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
956
957
958
959
960
961
962
963
964
965
966
967
968
969
970
971
972
973
974
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
990
991
992
993
994
995
996
997
998
999
1000
HEADER OXYGEN STORAGE/TRANSPORT 06-NOV-98 1B0B
TITLE HEMOGLOBIN I FROM THE CLAM LUCINA PECTINATA, CYANIDE
TITLE 2 COMPLEX AT 100 KELVIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HEMOGLOBIN;
COMPND 3 CHAIN: A
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: LUCINA PECTINATA;
SOURCE 3 ORGANISM_TAXID: 29163
KEYWDS HEMOPROTEIN, SULFIDE CARRIER, GLOBINS, OXYGEN TRANSPORT,
KEYWDS 2 OXYGEN STORAGE/TRANSPORT COMPLEX
EXPDTA X-RAY DIFFRACTION
AUTHOR C.ROSANO,M.RIZZI,P.ASCENZI,M.BOLOGNESI
REVDAT 3 24-FEB-09 1B0B 1 VERSN
REVDAT 2 01-APR-03 1B0B 1 JRNL
REVDAT 1 18-FEB-00 1B0B 0
JRNL AUTH M.BOLOGNESI,C.ROSANO,R.LOSSO,A.BORASSI,M.RIZZI,
JRNL AUTH 2 J.B.WITTENBERG,A.BOFFI,P.ASCENZI
JRNL TITL CYANIDE BINDING TO LUCINA PECTINATA HEMOGLOBIN I
JRNL TITL 2 AND TO SPERM WHALE MYOGLOBIN: AN X-RAY
JRNL TITL 3 CRYSTALLOGRAPHIC STUDY.
JRNL REF BIOPHYS.J. V. 77 1093 1999
JRNL REFN ISSN 0006-3495
JRNL PMID 10423453
REMARK 1
REMARK 2
REMARK 2 RESOLUTION. 1.43 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : SHELXL-97
REMARK 3 AUTHORS : G.M.SHELDRICK
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.43
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00
REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL
REMARK 3 COMPLETENESS FOR RANGE (%) : 92.3
REMARK 3 CROSS-VALIDATION METHOD : NULL
REMARK 3 FREE R VALUE TEST SET SELECTION : NULL
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT (NO CUTOFF).
REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL
REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : 0.119
REMARK 3 FREE R VALUE (NO CUTOFF) : 0.170
REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : 5.000
REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : 1340
REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 26805
REMARK 3
REMARK 3 FIT/AGREEMENT OF MODEL FOR DATA WITH F>4SIG(F).
REMARK 3 R VALUE (WORKING + TEST SET, F>4SIG(F)) : NULL
REMARK 3 R VALUE (WORKING SET, F>4SIG(F)) : 0.110
REMARK 3 FREE R VALUE (F>4SIG(F)) : 0.160
REMARK 3 FREE R VALUE TEST SET SIZE (%, F>4SIG(F)) : NULL
REMARK 3 FREE R VALUE TEST SET COUNT (F>4SIG(F)) : 1132
REMARK 3 TOTAL NUMBER OF REFLECTIONS (F>4SIG(F)) : 21186
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 1060
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 45
REMARK 3 SOLVENT ATOMS : 202
REMARK 3
REMARK 3 MODEL REFINEMENT.
REMARK 3 OCCUPANCY SUM OF NON-HYDROGEN ATOMS : NULL
REMARK 3 OCCUPANCY SUM OF HYDROGEN ATOMS : NULL
REMARK 3 NUMBER OF DISCRETELY DISORDERED RESIDUES : 8
REMARK 3 NUMBER OF LEAST-SQUARES PARAMETERS : NULL
REMARK 3 NUMBER OF RESTRAINTS : NULL
REMARK 3
REMARK 3 RMS DEVIATIONS FROM RESTRAINT TARGET VALUES.
REMARK 3 BOND LENGTHS (A) : 0.019
REMARK 3 ANGLE DISTANCES (A) : 0.038
REMARK 3 SIMILAR DISTANCES (NO TARGET VALUES) (A) : NULL
REMARK 3 DISTANCES FROM RESTRAINT PLANES (A) : NULL
REMARK 3 ZERO CHIRAL VOLUMES (A**3) : NULL
REMARK 3 NON-ZERO CHIRAL VOLUMES (A**3) : NULL
REMARK 3 ANTI-BUMPING DISTANCE RESTRAINTS (A) : NULL
REMARK 3 RIGID-BOND ADP COMPONENTS (A**2) : NULL
REMARK 3 SIMILAR ADP COMPONENTS (A**2) : NULL
REMARK 3 APPROXIMATELY ISOTROPIC ADPS (A**2) : NULL
REMARK 3
REMARK 3 BULK SOLVENT MODELING.
REMARK 3 METHOD USED: NULL
REMARK 3
REMARK 3 STEREOCHEMISTRY TARGET VALUES : NULL
REMARK 3 SPECIAL CASE: NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1B0B COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : JUL-98
REMARK 200 TEMPERATURE (KELVIN) : 100
REMARK 200 PH : 6.5
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : EMBL/DESY, HAMBURG
REMARK 200 BEAMLINE : BW7A
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 0.980
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : NULL
REMARK 200 DETECTOR MANUFACTURER : NULL
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO
REMARK 200 DATA SCALING SOFTWARE : SCALEPACK
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 29097
REMARK 200 RESOLUTION RANGE HIGH (A) : 1.430
REMARK 200 RESOLUTION RANGE LOW (A) : 20.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 92.3
REMARK 200 DATA REDUNDANCY : 3.400
REMARK 200 R MERGE (I) : 0.04700
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 9.1000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL
REMARK 200 COMPLETENESS FOR SHELL (%) : NULL
REMARK 200 DATA REDUNDANCY IN SHELL : NULL
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: NULL
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL
REMARK 200 SOFTWARE USED: SHELXL-97
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 57.00
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.33
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: PH 6.5
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,Y+1/2,-Z
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 18.97500
REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 CE LYS A 11 O HOH A 648 1.58
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION
REMARK 500 ALA A 109 CA ALA A 109 CB 0.290
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 GLU A 27 OE1 - CD - OE2 ANGL. DEV. = 7.3 DEGREES
REMARK 500 ARG A 99 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 GLU A 107 0.12 SIDE_CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 525
REMARK 525 SOLVENT
REMARK 525
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE
REMARK 525 NUMBER; I=INSERTION CODE):
REMARK 525
REMARK 525 M RES CSSEQI
REMARK 525 HOH A 536 DISTANCE = 5.95 ANGSTROMS
REMARK 620
REMARK 620 METAL COORDINATION
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 HEM A 144 FE
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 HIS A 96 NE2
REMARK 620 2 CYN A 145 C 176.1
REMARK 620 3 CYN A 145 N 175.4 0.9
REMARK 620 N 1 2
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CYN A 145
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A 144
DBREF 1B0B A 2 142 UNP P41260 GLB1_LUCPE 2 142
SEQADV 1B0B SER A 3 UNP P41260 GLU 3 SEE REMARK 999
SEQADV 1B0B ASP A 8 UNP P41260 SER 8 CONFLICT
SEQADV 1B0B LYS A 11 UNP P41260 THR 11 SEE REMARK 999
SEQADV 1B0B ALA A 114 UNP P41260 SER 114 SEE REMARK 999
SEQADV 1B0B MET A 137 UNP P41260 GLU 137 SEE REMARK 999
SEQADV 1B0B ARG A 139 UNP P41260 GLU 139 SEE REMARK 999
SEQRES 1 A 142 SAC LEU SER ALA ALA GLN LYS ASP ASN VAL LYS SER SER
SEQRES 2 A 142 TRP ALA LYS ALA SER ALA ALA TRP GLY THR ALA GLY PRO
SEQRES 3 A 142 GLU PHE PHE MET ALA LEU PHE ASP ALA HIS ASP ASP VAL
SEQRES 4 A 142 PHE ALA LYS PHE SER GLY LEU PHE SER GLY ALA ALA LYS
SEQRES 5 A 142 GLY THR VAL LYS ASN THR PRO GLU MET ALA ALA GLN ALA
SEQRES 6 A 142 GLN SER PHE LYS GLY LEU VAL SER ASN TRP VAL ASP ASN
SEQRES 7 A 142 LEU ASP ASN ALA GLY ALA LEU GLU GLY GLN CYS LYS THR
SEQRES 8 A 142 PHE ALA ALA ASN HIS LYS ALA ARG GLY ILE SER ALA GLY
SEQRES 9 A 142 GLN LEU GLU ALA ALA PHE LYS VAL LEU ALA GLY PHE MET
SEQRES 10 A 142 LYS SER TYR GLY GLY ASP GLU GLY ALA TRP THR ALA VAL
SEQRES 11 A 142 ALA GLY ALA LEU MET GLY MET ILE ARG PRO ASP MET
MODRES 1B0B SAC A 1 SER N-ACETYL-SERINE
HET SAC A 1 9
HET CYN A 145 2
HET HEM A 144 43
HETNAM SAC N-ACETYL-SERINE
HETNAM CYN CYANIDE ION
HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE
HETSYN HEM HEME
FORMUL 1 SAC C5 H9 N O4
FORMUL 2 CYN C N 1-
FORMUL 3 HEM C34 H32 FE N4 O4
FORMUL 4 HOH *202(H2 O)
HELIX 1 1 ALA A 4 ALA A 19 1 16
HELIX 2 2 TRP A 21 ALA A 35 1 15
HELIX 3 3 ASP A 37 PHE A 43 1 7
HELIX 4 4 LYS A 52 THR A 54 5 3
HELIX 5 5 PRO A 59 ASN A 78 1 20
HELIX 6 6 ALA A 82 ARG A 99 1 18
HELIX 7 7 ALA A 103 TYR A 120 1 18
HELIX 8 8 GLU A 124 ILE A 138 1 15
LINK C SAC A 1 N LEU A 2 1555 1555 1.33
LINK FE HEM A 144 NE2 HIS A 96 1555 1555 2.13
LINK FE HEM A 144 C CYN A 145 1555 1555 1.95
LINK FE HEM A 144 N CYN A 145 1555 1555 3.10
SITE 1 AC1 4 PHE A 29 PHE A 43 GLN A 64 HEM A 144
SITE 1 AC2 17 LYS A 42 PHE A 43 GLN A 64 SER A 67
SITE 2 AC2 17 PHE A 68 PHE A 92 ASN A 95 HIS A 96
SITE 3 AC2 17 ARG A 99 ILE A 101 GLN A 105 CYN A 145
SITE 4 AC2 17 HOH A 503 HOH A 577 HOH A 581 HOH A 637
SITE 5 AC2 17 HOH A 669
CRYST1 49.440 37.950 41.370 90.00 106.19 90.00 P 1 21 1 2
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 0.020227 0.000000 0.005873 0.00000
SCALE2 0.000000 0.026350 0.000000 0.00000
SCALE3 0.000000 0.000000 0.025170 0.00000
HETATM 1 C1A SAC A 1 0.309 21.624 12.084 1.00 14.46 C
HETATM 2 C2A SAC A 1 -0.644 22.786 12.305 1.00 16.17 C
HETATM 3 OAC SAC A 1 0.748 21.270 10.965 1.00 15.17 O
HETATM 4 N SAC A 1 0.704 20.902 13.201 1.00 12.52 N
HETATM 5 CA SAC A 1 1.696 19.854 13.115 1.00 11.35 C
HETATM 6 C SAC A 1 1.153 18.571 12.512 1.00 11.11 C
HETATM 7 O SAC A 1 2.005 17.715 12.278 1.00 14.64 O
HETATM 8 CB SAC A 1 2.243 19.544 14.508 1.00 13.32 C
HETATM 9 OG SAC A 1 1.224 19.038 15.329 1.00 18.68 O
ATOM 10 N LEU A 2 -0.158 18.399 12.345 1.00 7.96 N
ATOM 11 CA LEU A 2 -0.697 17.211 11.672 1.00 7.30 C
ATOM 12 C LEU A 2 -1.965 17.582 10.905 1.00 7.61 C
ATOM 13 O LEU A 2 -2.995 17.844 11.520 1.00 10.60 O
ATOM 14 CB LEU A 2 -0.944 16.101 12.670 1.00 7.78 C
ATOM 15 CG LEU A 2 -1.508 14.802 12.076 1.00 9.10 C
ATOM 16 CD1 LEU A 2 -0.545 14.205 11.061 1.00 9.71 C
ATOM 17 CD2 LEU A 2 -1.827 13.837 13.207 1.00 11.22 C
ATOM 18 N SER A 3 -1.795 17.800 9.590 1.00 5.77 N
ATOM 19 CA SER A 3 -2.901 18.304 8.814 1.00 5.25 C
ATOM 20 C SER A 3 -3.937 17.243 8.455 1.00 4.75 C
ATOM 21 O SER A 3 -3.652 16.051 8.459 1.00 5.56 O
ATOM 22 CB SER A 3 -2.422 18.974 7.530 1.00 5.49 C
ATOM 23 OG SER A 3 -2.065 17.973 6.625 1.00 6.35 O
ATOM 24 N ALA A 4 -5.131 17.739 8.075 1.00 6.25 N
ATOM 25 CA ALA A 4 -6.157 16.796 7.625 1.00 6.20 C
ATOM 26 C ALA A 4 -5.695 15.952 6.436 1.00 6.23 C
ATOM 27 O ALA A 4 -5.985 14.759 6.372 1.00 6.85 O
ATOM 28 CB ALA A 4 -7.420 17.541 7.231 1.00 7.62 C
ATOM 29 N ALA A 5 -4.979 16.610 5.528 1.00 6.00 N
ATOM 30 CA ALA A 5 -4.482 15.920 4.350 1.00 5.18 C
ATOM 31 C ALA A 5 -3.468 14.852 4.773 1.00 5.38 C
ATOM 32 O ALA A 5 -3.368 13.810 4.089 1.00 5.51 O
ATOM 33 CB ALA A 5 -3.907 16.851 3.290 1.00 8.06 C
ATOM 34 N GLN A 6 -2.558 15.177 5.673 1.00 5.23 N
ATOM 35 CA GLN A 6 -1.571 14.191 6.129 1.00 5.19 C
ATOM 36 C GLN A 6 -2.282 13.000 6.737 1.00 4.49 C
ATOM 37 O GLN A 6 -1.900 11.856 6.488 1.00 4.77 O
ATOM 38 CB GLN A 6 -0.609 14.815 7.125 1.00 5.19 C
ATOM 39 CG GLN A 6 0.334 15.824 6.453 1.00 5.92 C
ATOM 40 CD GLN A 6 1.220 16.544 7.444 1.00 6.11 C
ATOM 41 OE1 GLN A 6 0.811 17.057 8.471 1.00 7.42 O
ATOM 42 NE2 GLN A 6 2.503 16.650 7.114 1.00 7.41 N
ATOM 43 N LYS A 7 -3.278 13.271 7.591 1.00 4.60 N
ATOM 44 CA LYS A 7 -4.023 12.146 8.172 1.00 4.79 C
ATOM 45 C LYS A 7 -4.671 11.294 7.101 1.00 4.89 C
ATOM 46 O LYS A 7 -4.699 10.070 7.187 1.00 5.64 O
ATOM 47 CB LYS A 7 -5.035 12.723 9.137 1.00 5.53 C
ATOM 48 CG LYS A 7 -4.507 13.456 10.339 1.00 5.93 C
ATOM 49 CD LYS A 7 -5.669 14.106 11.084 1.00 8.65 C
ATOM 50 CE LYS A 7 -5.237 14.835 12.332 1.00 9.73 C
ATOM 51 NZ LYS A 7 -6.380 15.539 12.992 1.00 10.72 N
ATOM 52 N ASP A 8 -5.315 11.956 6.146 1.00 5.25 N
ATOM 53 CA ASP A 8 -6.000 11.216 5.083 1.00 5.55 C
ATOM 54 C ASP A 8 -5.004 10.325 4.324 1.00 5.15 C
ATOM 55 O ASP A 8 -5.322 9.208 3.945 1.00 6.49 O
ATOM 56 CB ASP A 8 -6.750 12.147 4.142 1.00 6.87 C
ATOM 57 CG ASP A 8 -7.981 12.831 4.714 1.00 8.87 C
ATOM 58 OD1 ASP A 8 -8.517 12.298 5.710 1.00 13.81 O
ATOM 59 OD2 ASP A 8 -8.440 13.834 4.063 1.00 10.94 O
ATOM 60 N ASN A 9 -3.831 10.861 3.973 1.00 4.96 N
ATOM 61 CA ASN A 9 -2.834 10.079 3.279 1.00 4.58 C
ATOM 62 C ASN A 9 -2.372 8.877 4.088 1.00 4.70 C
ATOM 63 O ASN A 9 -2.157 7.803 3.534 1.00 5.20 O
ATOM 64 CB ASN A 9 -1.615 10.935 2.899 1.00 4.73 C
ATOM 65 CG ASN A 9 -0.472 10.128 2.327 1.00 4.41 C
ATOM 66 OD1 ASN A 9 0.455 9.741 3.061 1.00 6.38 O
ATOM 67 ND2 ASN A 9 -0.359 9.944 1.016 1.00 7.16 N
ATOM 68 N VAL A 10 -2.120 9.104 5.371 1.00 4.89 N
ATOM 69 CA VAL A 10 -1.716 8.005 6.261 1.00 5.47 C
ATOM 70 C VAL A 10 -2.804 6.941 6.324 1.00 5.39 C
ATOM 71 O VAL A 10 -2.538 5.740 6.173 1.00 5.49 O
ATOM 72 CB VAL A 10 -1.333 8.569 7.632 1.00 5.02 C
ATOM 73 CG1 VAL A 10 -1.203 7.479 8.696 1.00 6.23 C
ATOM 74 CG2 VAL A 10 -0.004 9.306 7.572 1.00 5.65 C
ATOM 75 N LYS A 11 -4.066 7.332 6.497 1.00 6.44 N
ATOM 76 CA LYS A 11 -5.120 6.335 6.521 1.00 8.09 C
ATOM 77 C LYS A 11 -5.243 5.533 5.233 1.00 7.31 C
ATOM 78 O LYS A 11 -5.426 4.340 5.265 1.00 7.00 O
ATOM 79 CB ALYS A 11 -6.456 7.055 6.806 0.50 10.91 C
ATOM 80 CB BLYS A 11 -6.452 6.989 6.841 0.50 10.81 C
ATOM 81 CG ALYS A 11 -6.541 7.753 8.137 0.50 13.48 C
ATOM 82 CG BLYS A 11 -7.514 6.004 7.311 0.50 11.97 C
ATOM 83 CD ALYS A 11 -7.893 8.418 8.354 0.50 20.20 C
ATOM 84 CD BLYS A 11 -8.653 6.702 8.037 0.50 13.75 C
ATOM 85 CE ALYS A 11 -7.924 9.844 7.847 0.50 26.53 C
ATOM 86 CE BLYS A 11 -9.694 5.697 8.509 0.50 17.12 C
ATOM 87 NZ ALYS A 11 -8.987 10.107 6.798 0.50 27.08 N
ATOM 88 NZ BLYS A 11 -11.063 6.278 8.554 0.50 15.12 N
ATOM 89 N SER A 12 -5.184 6.242 4.117 1.00 6.32 N
ATOM 90 CA SER A 12 -5.422 5.625 2.822 1.00 6.15 C
ATOM 91 C SER A 12 -4.245 4.760 2.436 1.00 5.34 C
ATOM 92 O SER A 12 -4.431 3.694 1.887 1.00 6.57 O
ATOM 93 CB ASER A 12 -5.727 6.718 1.795 0.50 6.31 C
ATOM 94 CB BSER A 12 -5.693 6.651 1.721 0.50 7.22 C
ATOM 95 OG ASER A 12 -6.984 7.345 2.047 0.50 10.00 O
ATOM 96 OG BSER A 12 -5.493 6.087 0.430 0.50 8.22 O
ATOM 97 N SER A 13 -3.020 5.264 2.690 1.00 5.04 N
ATOM 98 CA SER A 13 -1.876 4.425 2.350 1.00 5.31 C
ATOM 99 C SER A 13 -1.757 3.231 3.294 1.00 4.70 C
ATOM 100 O SER A 13 -1.421 2.152 2.829 1.00 4.90 O
ATOM 101 CB ASER A 13 -0.612 5.289 2.336 0.50 5.32 C
ATOM 102 CB BSER A 13 -0.585 5.215 2.229 0.50 6.40 C
ATOM 103 OG ASER A 13 -0.259 5.866 3.594 0.50 4.98 O
ATOM 104 OG BSER A 13 -0.376 5.600 0.879 0.50 7.64 O
ATOM 105 N TRP A 14 -2.114 3.422 4.570 1.00 4.47 N
ATOM 106 CA TRP A 14 -2.166 2.290 5.493 1.00 5.48 C
ATOM 107 C TRP A 14 -3.158 1.231 5.020 1.00 5.66 C
ATOM 108 O TRP A 14 -2.900 0.030 5.080 1.00 6.28 O
ATOM 109 CB TRP A 14 -2.469 2.694 6.960 1.00 5.22 C
ATOM 110 CG TRP A 14 -2.323 1.438 7.794 1.00 4.48 C
ATOM 111 CD1 TRP A 14 -3.299 0.824 8.510 1.00 5.50 C
ATOM 112 CD2 TRP A 14 -1.137 0.644 7.976 1.00 4.95 C
ATOM 113 NE1 TRP A 14 -2.805 -0.306 9.139 1.00 6.46 N
ATOM 114 CE2 TRP A 14 -1.480 -0.428 8.815 1.00 6.41 C
ATOM 115 CE3 TRP A 14 0.192 0.679 7.545 1.00 5.62 C
ATOM 116 CZ2 TRP A 14 -0.566 -1.403 9.199 1.00 7.04 C
ATOM 117 CZ3 TRP A 14 1.118 -0.289 7.920 1.00 5.89 C
ATOM 118 CH2 TRP A 14 0.727 -1.349 8.763 1.00 6.88 C
ATOM 119 N ALA A 15 -4.296 1.643 4.469 1.00 6.14 N
ATOM 120 CA ALA A 15 -5.243 0.666 3.910 1.00 6.23 C
ATOM 121 C ALA A 15 -4.575 -0.181 2.832 1.00 6.58 C
ATOM 122 O ALA A 15 -4.815 -1.392 2.731 1.00 6.99 O
ATOM 123 CB ALA A 15 -6.483 1.362 3.394 1.00 5.52 C
ATOM 124 N LYS A 16 -3.751 0.431 1.995 1.00 5.99 N
ATOM 125 CA LYS A 16 -3.070 -0.279 0.955 1.00 6.63 C
ATOM 126 C LYS A 16 -2.013 -1.204 1.522 1.00 5.93 C
ATOM 127 O LYS A 16 -1.918 -2.380 1.134 1.00 6.41 O
ATOM 128 CB LYS A 16 -2.455 0.727 -0.023 1.00 6.48 C
ATOM 129 CG LYS A 16 -3.463 1.537 -0.830 1.00 9.11 C
ATOM 130 CD LYS A 16 -2.758 2.512 -1.758 1.00 11.77 C
ATOM 131 CE ALYS A 16 -3.716 3.314 -2.597 0.50 14.92 C
ATOM 132 CE BLYS A 16 -3.461 3.856 -1.823 0.50 12.86 C
ATOM 133 NZ ALYS A 16 -4.322 2.523 -3.694 0.50 24.21 N
ATOM 134 NZ BLYS A 16 -3.692 4.316 -3.224 0.50 11.85 N
ATOM 135 N ALA A 17 -1.198 -0.770 2.440 1.00 5.61 N
ATOM 136 CA ALA A 17 -0.202 -1.654 3.006 1.00 5.23 C
ATOM 137 C ALA A 17 -0.842 -2.795 3.784 1.00 5.60 C
ATOM 138 O ALA A 17 -0.393 -3.930 3.762 1.00 6.03 O
ATOM 139 CB ALA A 17 0.683 -0.803 3.886 1.00 6.76 C
ATOM 140 N SER A 18 -1.883 -2.477 4.526 1.00 5.10 N
ATOM 141 CA SER A 18 -2.610 -3.474 5.313 1.00 5.89 C
ATOM 142 C SER A 18 -3.139 -4.590 4.414 1.00 6.24 C
ATOM 143 O SER A 18 -3.034 -5.773 4.765 1.00 6.88 O
ATOM 144 CB ASER A 18 -3.723 -2.795 6.105 0.50 7.24 C
ATOM 145 CB BSER A 18 -3.833 -2.800 5.959 0.50 6.90 C
ATOM 146 OG ASER A 18 -4.472 -3.741 6.838 0.50 8.33 O
ATOM 147 OG BSER A 18 -3.466 -2.022 7.079 0.50 8.03 O
ATOM 148 N ALA A 19 -3.656 -4.267 3.249 1.00 5.45 N
ATOM 149 CA ALA A 19 -4.162 -5.269 2.329 1.00 6.03 C
ATOM 150 C ALA A 19 -3.051 -6.223 1.876 1.00 5.81 C
ATOM 151 O ALA A 19 -3.312 -7.396 1.638 1.00 6.53 O
ATOM 152 CB ALA A 19 -4.799 -4.626 1.104 1.00 8.85 C
ATOM 153 N ALA A 20 -1.834 -5.706 1.794 1.00 5.38 N
ATOM 154 CA ALA A 20 -0.694 -6.476 1.361 1.00 5.69 C
ATOM 155 C ALA A 20 0.185 -6.984 2.490 1.00 4.76 C
ATOM 156 O ALA A 20 1.214 -7.613 2.200 1.00 5.76 O
ATOM 157 CB ALA A 20 0.158 -5.575 0.472 1.00 5.71 C
ATOM 158 N TRP A 21 -0.243 -6.807 3.741 1.00 4.70 N
ATOM 159 CA TRP A 21 0.680 -6.982 4.865 1.00 5.03 C
ATOM 160 C TRP A 21 1.085 -8.441 5.056 1.00 4.59 C
ATOM 161 O TRP A 21 2.128 -8.666 5.700 1.00 6.09 O
ATOM 162 CB TRP A 21 0.106 -6.446 6.147 1.00 5.61 C
ATOM 163 CG TRP A 21 1.084 -6.048 7.208 1.00 3.65 C
ATOM 164 CD1 TRP A 21 1.265 -6.661 8.425 1.00 5.49 C
ATOM 165 CD2 TRP A 21 2.014 -4.954 7.171 1.00 4.65 C
ATOM 166 NE1 TRP A 21 2.244 -6.011 9.143 1.00 5.09 N
ATOM 167 CE2 TRP A 21 2.724 -4.957 8.391 1.00 4.21 C
ATOM 168 CE3 TRP A 21 2.334 -3.968 6.243 1.00 4.78 C
ATOM 169 CZ2 TRP A 21 3.711 -4.019 8.693 1.00 5.43 C
ATOM 170 CZ3 TRP A 21 3.303 -3.037 6.523 1.00 6.31 C
ATOM 171 CH2 TRP A 21 3.988 -3.071 7.749 1.00 5.73 C
ATOM 172 N GLY A 22 0.356 -9.421 4.550 1.00 4.91 N
ATOM 173 CA GLY A 22 0.803 -10.826 4.662 1.00 6.34 C
ATOM 174 C GLY A 22 2.139 -11.059 3.975 1.00 6.61 C
ATOM 175 O GLY A 22 2.916 -11.894 4.413 1.00 7.79 O
ATOM 176 N THR A 23 2.487 -10.202 3.004 1.00 6.48 N
ATOM 177 CA THR A 23 3.798 -10.285 2.387 1.00 6.63 C
ATOM 178 C THR A 23 4.614 -9.062 2.769 1.00 6.14 C
ATOM 179 O THR A 23 5.834 -9.182 2.969 1.00 6.37 O
ATOM 180 CB THR A 23 3.797 -10.433 0.853 1.00 6.72 C
ATOM 181 OG1 THR A 23 3.357 -9.224 0.243 1.00 8.05 O
ATOM 182 CG2 THR A 23 2.888 -11.588 0.429 1.00 8.71 C
ATOM 183 N ALA A 24 4.007 -7.895 2.829 1.00 5.51 N
ATOM 184 CA ALA A 24 4.732 -6.650 3.097 1.00 5.53 C
ATOM 185 C ALA A 24 5.213 -6.532 4.525 1.00 6.41 C
ATOM 186 O ALA A 24 6.266 -5.953 4.812 1.00 6.66 O
ATOM 187 CB ALA A 24 3.879 -5.436 2.730 1.00 7.52 C
ATOM 188 N GLY A 25 4.483 -7.072 5.481 1.00 6.27 N
ATOM 189 CA GLY A 25 4.906 -6.922 6.862 1.00 5.94 C
ATOM 190 C GLY A 25 6.250 -7.595 7.091 1.00 5.58 C
ATOM 191 O GLY A 25 7.139 -6.976 7.687 1.00 5.42 O
ATOM 192 N PRO A 26 6.432 -8.856 6.667 1.00 5.12 N
ATOM 193 CA PRO A 26 7.765 -9.456 6.811 1.00 5.75 C
ATOM 194 C PRO A 26 8.838 -8.631 6.135 1.00 5.94 C
ATOM 195 O PRO A 26 9.953 -8.540 6.653 1.00 7.04 O
ATOM 196 CB PRO A 26 7.572 -10.835 6.169 1.00 7.26 C
ATOM 197 CG PRO A 26 6.132 -11.172 6.481 1.00 7.30 C
ATOM 198 CD PRO A 26 5.428 -9.825 6.262 1.00 6.21 C
ATOM 199 N GLU A 27 8.528 -8.021 5.008 1.00 6.37 N
ATOM 200 CA GLU A 27 9.537 -7.178 4.361 1.00 7.93 C
ATOM 201 C GLU A 27 9.870 -5.926 5.159 1.00 6.53 C
ATOM 202 O GLU A 27 11.030 -5.530 5.268 1.00 7.42 O
ATOM 203 CB GLU A 27 9.065 -6.763 2.953 1.00 11.31 C
ATOM 204 CG GLU A 27 8.787 -7.985 2.092 1.00 17.54 C
ATOM 205 CD GLU A 27 9.942 -8.320 1.176 1.00 22.71 C
ATOM 206 OE1 GLU A 27 11.066 -8.084 1.709 1.00 28.45 O
ATOM 207 OE2 GLU A 27 9.618 -9.138 0.265 1.00 29.48 O
ATOM 208 N PHE A 28 8.858 -5.304 5.756 1.00 5.82 N
ATOM 209 CA PHE A 28 9.103 -4.154 6.596 1.00 5.47 C
ATOM 210 C PHE A 28 10.016 -4.566 7.750 1.00 4.94 C
ATOM 211 O PHE A 28 10.974 -3.866 8.085 1.00 5.18 O
ATOM 212 CB PHE A 28 7.763 -3.606 7.085 1.00 5.43 C
ATOM 213 CG PHE A 28 7.954 -2.742 8.328 1.00 5.30 C
ATOM 214 CD1 PHE A 28 8.496 -1.479 8.218 1.00 5.82 C
ATOM 215 CD2 PHE A 28 7.614 -3.237 9.574 1.00 5.22 C
ATOM 216 CE1 PHE A 28 8.690 -0.715 9.371 1.00 7.07 C
ATOM 217 CE2 PHE A 28 7.811 -2.491 10.744 1.00 6.55 C
ATOM 218 CZ PHE A 28 8.370 -1.241 10.610 1.00 6.52 C
ATOM 219 N PHE A 29 9.703 -5.669 8.452 1.00 4.81 N
ATOM 220 CA PHE A 29 10.554 -6.079 9.570 1.00 5.05 C
ATOM 221 C PHE A 29 11.972 -6.329 9.106 1.00 4.72 C
ATOM 222 O PHE A 29 12.934 -5.984 9.808 1.00 5.84 O
ATOM 223 CB PHE A 29 9.979 -7.299 10.305 1.00 4.82 C
ATOM 224 CG PHE A 29 8.951 -6.860 11.363 1.00 5.36 C
ATOM 225 CD1 PHE A 29 9.381 -6.513 12.634 1.00 6.28 C
ATOM 226 CD2 PHE A 29 7.595 -6.791 11.076 1.00 5.61 C
ATOM 227 CE1 PHE A 29 8.456 -6.071 13.578 1.00 6.55 C
ATOM 228 CE2 PHE A 29 6.676 -6.350 11.997 1.00 5.24 C
ATOM 229 CZ PHE A 29 7.114 -6.014 13.252 1.00 5.84 C
ATOM 230 N MET A 30 12.164 -6.949 7.931 1.00 5.41 N
ATOM 231 CA MET A 30 13.536 -7.172 7.504 1.00 5.79 C
ATOM 232 C MET A 30 14.261 -5.835 7.220 1.00 5.40 C
ATOM 233 O MET A 30 15.449 -5.684 7.555 1.00 7.07 O
ATOM 234 CB MET A 30 13.613 -8.067 6.272 1.00 6.51 C
ATOM 235 CG MET A 30 13.097 -9.452 6.530 1.00 6.35 C
ATOM 236 SD MET A 30 13.836 -10.345 7.896 1.00 8.65 S
ATOM 237 CE MET A 30 15.557 -10.382 7.384 1.00 14.68 C
ATOM 238 N ALA A 31 13.545 -4.853 6.713 1.00 5.95 N
ATOM 239 CA ALA A 31 14.151 -3.531 6.477 1.00 7.03 C
ATOM 240 C ALA A 31 14.536 -2.908 7.810 1.00 6.71 C
ATOM 241 O ALA A 31 15.627 -2.332 7.967 1.00 8.03 O
ATOM 242 CB ALA A 31 13.236 -2.596 5.701 1.00 9.47 C
ATOM 243 N LEU A 32 13.660 -3.063 8.802 1.00 6.19 N
ATOM 244 CA LEU A 32 13.920 -2.557 10.146 1.00 6.02 C
ATOM 245 C LEU A 32 15.140 -3.212 10.783 1.00 5.90 C
ATOM 246 O LEU A 32 16.043 -2.573 11.349 1.00 6.17 O
ATOM 247 CB LEU A 32 12.666 -2.800 11.001 1.00 6.18 C
ATOM 248 CG LEU A 32 12.755 -2.403 12.467 1.00 7.07 C
ATOM 249 CD1 LEU A 32 13.236 -0.969 12.610 1.00 8.12 C
ATOM 250 CD2 LEU A 32 11.407 -2.560 13.154 1.00 7.57 C
ATOM 251 N PHE A 33 15.144 -4.547 10.687 1.00 6.20 N
ATOM 252 CA PHE A 33 16.257 -5.300 11.242 1.00 6.66 C
ATOM 253 C PHE A 33 17.567 -4.997 10.541 1.00 7.73 C
ATOM 254 O PHE A 33 18.645 -4.937 11.156 1.00 8.28 O
ATOM 255 CB PHE A 33 15.976 -6.804 11.155 1.00 7.86 C
ATOM 256 CG PHE A 33 14.808 -7.265 12.001 1.00 6.82 C
ATOM 257 CD1 PHE A 33 14.281 -6.551 13.050 1.00 6.87 C
ATOM 258 CD2 PHE A 33 14.202 -8.486 11.712 1.00 7.13 C
ATOM 259 CE1 PHE A 33 13.196 -7.006 13.782 1.00 7.24 C
ATOM 260 CE2 PHE A 33 13.117 -8.939 12.421 1.00 7.07 C
ATOM 261 CZ PHE A 33 12.599 -8.189 13.467 1.00 7.25 C
ATOM 262 N ASP A 34 17.554 -4.878 9.218 1.00 7.76 N
ATOM 263 CA ASP A 34 18.768 -4.524 8.479 1.00 9.33 C
ATOM 264 C ASP A 34 19.256 -3.125 8.816 1.00 8.78 C
ATOM 265 O ASP A 34 20.473 -2.904 8.902 1.00 11.21 O
ATOM 266 CB ASP A 34 18.504 -4.632 6.984 1.00 12.08 C
ATOM 267 CG ASP A 34 18.469 -6.042 6.396 1.00 14.55 C
ATOM 268 OD1 ASP A 34 18.954 -7.024 7.033 1.00 18.37 O
ATOM 269 OD2 ASP A 34 17.993 -6.162 5.231 1.00 18.71 O
ATOM 270 N ALA A 35 18.389 -2.176 9.107 1.00 8.42 N
ATOM 271 CA ALA A 35 18.789 -0.797 9.438 1.00 9.88 C
ATOM 272 C ALA A 35 19.230 -0.669 10.885 1.00 8.91 C
ATOM 273 O ALA A 35 19.965 0.266 11.231 1.00 10.87 O
ATOM 274 CB ALA A 35 17.676 0.179 9.124 1.00 10.47 C
ATOM 275 N HIS A 36 18.681 -1.482 11.775 1.00 8.56 N
ATOM 276 CA HIS A 36 18.871 -1.359 13.224 1.00 8.13 C
ATOM 277 C HIS A 36 19.063 -2.740 13.873 1.00 8.28 C
ATOM 278 O HIS A 36 18.106 -3.395 14.303 1.00 7.42 O
ATOM 279 CB HIS A 36 17.709 -0.607 13.897 1.00 7.79 C
ATOM 280 CG HIS A 36 17.483 0.736 13.270 1.00 9.01 C
ATOM 281 ND1 HIS A 36 18.274 1.823 13.564 1.00 9.61 N
ATOM 282 CD2 HIS A 36 16.632 1.139 12.308 1.00 10.21 C
ATOM 283 CE1 HIS A 36 17.865 2.854 12.841 1.00 9.63 C
ATOM 284 NE2 HIS A 36 16.864 2.462 12.079 1.00 9.56 N
ATOM 285 N ASP A 37 20.333 -3.203 13.902 1.00 8.95 N
ATOM 286 CA ASP A 37 20.591 -4.532 14.438 1.00 9.20 C
ATOM 287 C ASP A 37 20.130 -4.634 15.891 1.00 9.63 C
ATOM 288 O ASP A 37 19.743 -5.740 16.320 1.00 8.99 O
ATOM 289 CB ASP A 37 22.076 -4.864 14.278 1.00 12.73 C
ATOM 290 CG ASP A 37 22.372 -6.340 14.447 1.00 15.76 C
ATOM 291 OD1 ASP A 37 21.864 -7.168 13.673 1.00 16.56 O
ATOM 292 OD2 ASP A 37 23.023 -6.640 15.473 1.00 26.96 O
ATOM 293 N ASP A 38 20.158 -3.525 16.646 1.00 8.29 N
ATOM 294 CA ASP A 38 19.750 -3.581 18.037 1.00 7.04 C
ATOM 295 C ASP A 38 18.253 -3.810 18.216 1.00 6.30 C
ATOM 296 O ASP A 38 17.844 -4.346 19.245 1.00 7.32 O
ATOM 297 CB ASP A 38 20.120 -2.267 18.752 1.00 7.87 C
ATOM 298 CG ASP A 38 19.664 -1.033 17.999 1.00 7.40 C
ATOM 299 OD1 ASP A 38 20.228 -0.851 16.897 1.00 11.84 O
ATOM 300 OD2 ASP A 38 18.742 -0.317 18.421 1.00 8.44 O
ATOM 301 N VAL A 39 17.495 -3.401 17.182 1.00 6.65 N
ATOM 302 CA VAL A 39 16.063 -3.713 17.167 1.00 6.18 C
ATOM 303 C VAL A 39 15.881 -5.212 16.973 1.00 5.92 C
ATOM 304 O VAL A 39 15.180 -5.895 17.713 1.00 6.52 O
ATOM 305 CB VAL A 39 15.363 -2.868 16.101 1.00 6.01 C
ATOM 306 CG1 VAL A 39 13.948 -3.389 15.911 1.00 6.83 C
ATOM 307 CG2 VAL A 39 15.368 -1.403 16.519 1.00 7.59 C
ATOM 308 N PHE A 40 16.616 -5.805 16.048 1.00 6.32 N
ATOM 309 CA PHE A 40 16.530 -7.240 15.845 1.00 7.05 C
ATOM 310 C PHE A 40 16.926 -7.994 17.106 1.00 6.82 C
ATOM 311 O PHE A 40 16.248 -8.963 17.495 1.00 7.50 O
ATOM 312 CB PHE A 40 17.463 -7.699 14.724 1.00 7.61 C
ATOM 313 CG PHE A 40 17.408 -9.203 14.544 1.00 7.05 C
ATOM 314 CD1 PHE A 40 16.243 -9.799 14.082 1.00 7.74 C
ATOM 315 CD2 PHE A 40 18.489 -9.994 14.870 1.00 8.87 C
ATOM 316 CE1 PHE A 40 16.198 -11.177 13.958 1.00 8.76 C
ATOM 317 CE2 PHE A 40 18.430 -11.373 14.707 1.00 9.92 C
ATOM 318 CZ PHE A 40 17.282 -11.977 14.247 1.00 9.05 C
ATOM 319 N ALA A 41 17.867 -7.449 17.862 1.00 7.21 N
ATOM 320 CA ALA A 41 18.309 -8.138 19.081 1.00 8.00 C
ATOM 321 C ALA A 41 17.197 -8.364 20.102 1.00 8.54 C
ATOM 322 O ALA A 41 17.209 -9.365 20.844 1.00 8.20 O
ATOM 323 CB ALA A 41 19.475 -7.375 19.715 1.00 10.52 C
ATOM 324 N LYS A 42 16.275 -7.414 20.204 1.00 8.65 N
ATOM 325 CA LYS A 42 15.169 -7.507 21.173 1.00 8.28 C
ATOM 326 C LYS A 42 14.168 -8.581 20.764 1.00 7.28 C
ATOM 327 O LYS A 42 13.333 -8.910 21.609 1.00 8.65 O
ATOM 328 CB LYS A 42 14.482 -6.137 21.291 1.00 8.27 C
ATOM 329 CG LYS A 42 15.299 -5.124 22.100 1.00 9.54 C
ATOM 330 CD LYS A 42 15.187 -5.393 23.592 1.00 9.61 C
ATOM 331 CE ALYS A 42 16.065 -4.471 24.415 0.50 12.33 C
ATOM 332 CE BLYS A 42 15.811 -4.299 24.436 0.50 10.81 C
ATOM 333 NZ ALYS A 42 17.519 -4.704 24.136 0.50 15.81 N
ATOM 334 NZ BLYS A 42 16.095 -4.775 25.822 0.50 9.89 N
ATOM 335 N PHE A 43 14.272 -9.097 19.533 1.00 6.28 N
ATOM 336 CA PHE A 43 13.383 -10.157 19.057 1.00 7.27 C
ATOM 337 C PHE A 43 14.070 -11.505 19.159 1.00 8.28 C
ATOM 338 O PHE A 43 13.520 -12.527 18.705 1.00 8.14 O
ATOM 339 CB PHE A 43 12.914 -9.906 17.618 1.00 7.25 C
ATOM 340 CG PHE A 43 11.874 -8.792 17.476 1.00 7.31 C
ATOM 341 CD1 PHE A 43 10.511 -9.018 17.656 1.00 7.88 C
ATOM 342 CD2 PHE A 43 12.274 -7.516 17.130 1.00 6.88 C
ATOM 343 CE1 PHE A 43 9.593 -7.987 17.532 1.00 7.69 C
ATOM 344 CE2 PHE A 43 11.362 -6.490 17.016 1.00 7.19 C
ATOM 345 CZ PHE A 43 10.017 -6.724 17.169 1.00 7.80 C
ATOM 346 N SER A 44 15.204 -11.585 19.843 1.00 11.34 N
ATOM 347 CA SER A 44 15.943 -12.853 19.827 1.00 11.37 C
ATOM 348 C SER A 44 15.279 -13.910 20.689 1.00 12.34 C
ATOM 349 O SER A 44 15.281 -15.130 20.446 1.00 13.44 O
ATOM 350 CB SER A 44 17.374 -12.582 20.284 1.00 14.28 C
ATOM 351 OG SER A 44 17.282 -12.247 21.694 1.00 23.70 O
ATOM 352 N GLY A 45 14.395 -13.509 21.594 1.00 12.74 N
ATOM 353 CA GLY A 45 13.615 -14.563 22.216 1.00 13.29 C
ATOM 354 C GLY A 45 12.517 -15.135 21.344 1.00 10.57 C
ATOM 355 O GLY A 45 12.378 -16.351 21.191 1.00 11.48 O
ATOM 356 N LEU A 46 11.792 -14.250 20.672 1.00 9.86 N
ATOM 357 CA LEU A 46 10.745 -14.647 19.749 1.00 8.13 C
ATOM 358 C LEU A 46 11.306 -15.608 18.711 1.00 7.42 C
ATOM 359 O LEU A 46 10.699 -16.616 18.373 1.00 8.55 O
ATOM 360 CB LEU A 46 10.167 -13.425 19.044 1.00 7.38 C
ATOM 361 CG LEU A 46 9.202 -13.720 17.901 1.00 9.84 C
ATOM 362 CD1 LEU A 46 8.009 -14.470 18.465 1.00 10.78 C
ATOM 363 CD2 LEU A 46 8.839 -12.431 17.169 1.00 10.19 C
ATOM 364 N PHE A 47 12.405 -15.237 18.081 1.00 6.27 N
ATOM 365 CA PHE A 47 13.008 -15.993 17.009 1.00 6.69 C
ATOM 366 C PHE A 47 13.968 -17.093 17.489 1.00 7.78 C
ATOM 367 O PHE A 47 14.626 -17.732 16.652 1.00 8.39 O
ATOM 368 CB PHE A 47 13.760 -15.070 16.035 1.00 6.85 C
ATOM 369 CG PHE A 47 12.830 -14.146 15.258 1.00 5.95 C
ATOM 370 CD1 PHE A 47 11.782 -14.616 14.485 1.00 6.73 C
ATOM 371 CD2 PHE A 47 12.998 -12.788 15.322 1.00 6.56 C
ATOM 372 CE1 PHE A 47 10.913 -13.820 13.781 1.00 6.30 C
ATOM 373 CE2 PHE A 47 12.153 -11.952 14.601 1.00 7.59 C
ATOM 374 CZ PHE A 47 11.111 -12.448 13.837 1.00 7.57 C
ATOM 375 N SER A 48 13.944 -17.378 18.767 1.00 8.19 N
ATOM 376 CA SER A 48 14.680 -18.473 19.386 1.00 8.80 C
ATOM 377 C SER A 48 16.136 -18.493 18.892 1.00 8.53 C
ATOM 378 O SER A 48 16.820 -19.471 18.579 1.00 9.11 O
ATOM 379 CB SER A 48 13.989 -19.825 19.198 1.00 10.57 C
ATOM 380 OG SER A 48 12.582 -19.841 19.572 1.00 20.19 O
ATOM 381 N GLY A 49 16.761 -17.309 18.910 1.00 7.98 N
ATOM 382 CA GLY A 49 18.197 -17.223 18.720 1.00 7.79 C
ATOM 383 C GLY A 49 18.625 -17.196 17.282 1.00 7.48 C
ATOM 384 O GLY A 49 19.828 -17.191 16.980 1.00 8.55 O
ATOM 385 N ALA A 50 17.714 -17.356 16.337 1.00 7.35 N
ATOM 386 CA ALA A 50 18.055 -17.525 14.933 1.00 7.00 C
ATOM 387 C ALA A 50 18.716 -16.263 14.382 1.00 8.11 C
ATOM 388 O ALA A 50 18.425 -15.163 14.814 1.00 8.85 O
ATOM 389 CB ALA A 50 16.793 -17.845 14.145 1.00 8.03 C
ATOM 390 N ALA A 51 19.552 -16.461 13.363 1.00 7.40 N
ATOM 391 CA ALA A 51 20.200 -15.355 12.682 1.00 7.72 C
ATOM 392 C ALA A 51 19.166 -14.601 11.831 1.00 7.73 C
ATOM 393 O ALA A 51 18.222 -15.163 11.258 1.00 9.32 O
ATOM 394 CB ALA A 51 21.358 -15.878 11.857 1.00 9.00 C
ATOM 395 N LYS A 52 19.386 -13.296 11.705 1.00 8.70 N
ATOM 396 CA LYS A 52 18.500 -12.370 11.019 1.00 10.55 C
ATOM 397 C LYS A 52 18.121 -12.834 9.626 1.00 10.91 C
ATOM 398 O LYS A 52 16.995 -12.793 9.122 1.00 10.44 O
ATOM 399 CB LYS A 52 19.247 -11.019 10.983 1.00 12.59 C
ATOM 400 CG LYS A 52 18.528 -9.867 10.367 1.00 13.26 C
ATOM 401 CD LYS A 52 19.350 -8.586 10.156 1.00 14.48 C
ATOM 402 CE LYS A 52 20.158 -8.079 11.331 1.00 17.26 C
ATOM 403 NZ LYS A 52 20.870 -6.747 11.260 1.00 16.16 N
ATOM 404 N GLY A 53 19.129 -13.383 8.931 1.00 11.80 N
ATOM 405 CA GLY A 53 18.925 -13.809 7.565 1.00 14.68 C
ATOM 406 C GLY A 53 18.063 -15.035 7.390 1.00 14.77 C
ATOM 407 O GLY A 53 17.772 -15.450 6.262 1.00 21.11 O
ATOM 408 N THR A 54 17.569 -15.607 8.477 1.00 12.98 N
ATOM 409 CA THR A 54 16.701 -16.761 8.415 1.00 10.78 C
ATOM 410 C THR A 54 15.270 -16.496 8.838 1.00 9.44 C
ATOM 411 O THR A 54 14.456 -17.421 8.763 1.00 11.58 O
ATOM 412 CB THR A 54 17.302 -17.908 9.286 1.00 12.17 C
ATOM 413 OG1 THR A 54 17.111 -17.580 10.656 1.00 10.95 O
ATOM 414 CG2 THR A 54 18.784 -18.044 8.968 1.00 16.67 C
ATOM 415 N VAL A 55 14.923 -15.322 9.339 1.00 8.40 N
ATOM 416 CA VAL A 55 13.678 -15.195 10.077 1.00 6.92 C
ATOM 417 C VAL A 55 12.494 -14.795 9.213 1.00 7.03 C
ATOM 418 O VAL A 55 11.353 -14.872 9.693 1.00 6.92 O
ATOM 419 CB VAL A 55 13.797 -14.208 11.270 1.00 6.76 C
ATOM 420 CG1 VAL A 55 14.830 -14.718 12.274 1.00 7.39 C
ATOM 421 CG2 VAL A 55 14.145 -12.794 10.859 1.00 5.49 C
ATOM 422 N LYS A 56 12.697 -14.300 8.002 1.00 7.07 N
ATOM 423 CA LYS A 56 11.610 -13.668 7.257 1.00 8.60 C
ATOM 424 C LYS A 56 10.380 -14.554 7.102 1.00 8.90 C
ATOM 425 O LYS A 56 9.244 -14.048 7.132 1.00 9.83 O
ATOM 426 CB LYS A 56 12.092 -13.242 5.867 1.00 9.61 C
ATOM 427 CG LYS A 56 11.076 -12.399 5.097 1.00 11.96 C
ATOM 428 CD LYS A 56 11.767 -12.013 3.771 1.00 16.51 C
ATOM 429 CE LYS A 56 10.825 -11.241 2.890 1.00 21.29 C
ATOM 430 NZ LYS A 56 11.293 -11.197 1.491 1.00 28.74 N
ATOM 431 N ASN A 57 10.605 -15.812 6.722 1.00 8.86 N
ATOM 432 CA ASN A 57 9.507 -16.729 6.418 1.00 9.98 C
ATOM 433 C ASN A 57 9.178 -17.684 7.558 1.00 8.65 C
ATOM 434 O ASN A 57 8.464 -18.655 7.339 1.00 13.32 O
ATOM 435 CB ASN A 57 9.890 -17.490 5.152 1.00 13.97 C
ATOM 436 CG ASN A 57 10.056 -16.519 3.978 1.00 19.54 C
ATOM 437 OD1 ASN A 57 10.964 -16.698 3.133 1.00 28.00 O
ATOM 438 ND2 ASN A 57 9.060 -15.671 3.697 1.00 24.06 N
ATOM 439 N THR A 58 9.429 -17.254 8.789 1.00 6.53 N
ATOM 440 CA THR A 58 9.048 -18.043 9.947 1.00 6.89 C
ATOM 441 C THR A 58 7.605 -17.792 10.387 1.00 6.27 C
ATOM 442 O THR A 58 7.019 -16.726 10.186 1.00 6.98 O
ATOM 443 CB THR A 58 9.971 -17.754 11.150 1.00 7.82 C
ATOM 444 OG1 THR A 58 9.966 -16.383 11.523 1.00 7.45 O
ATOM 445 CG2 THR A 58 11.403 -18.085 10.791 1.00 8.44 C
ATOM 446 N PRO A 59 7.025 -18.750 11.122 1.00 6.71 N
ATOM 447 CA PRO A 59 5.708 -18.499 11.685 1.00 6.78 C
ATOM 448 C PRO A 59 5.720 -17.346 12.689 1.00 6.31 C
ATOM 449 O PRO A 59 4.731 -16.600 12.775 1.00 6.47 O
ATOM 450 CB PRO A 59 5.417 -19.816 12.402 1.00 7.23 C
ATOM 451 CG PRO A 59 6.269 -20.872 11.773 1.00 9.22 C
ATOM 452 CD PRO A 59 7.501 -20.134 11.307 1.00 8.52 C
ATOM 453 N GLU A 60 6.824 -17.177 13.426 1.00 5.64 N
ATOM 454 CA GLU A 60 6.931 -16.090 14.404 1.00 5.58 C
ATOM 455 C GLU A 60 6.873 -14.728 13.713 1.00 5.45 C
ATOM 456 O GLU A 60 6.291 -13.755 14.191 1.00 6.03 O
ATOM 457 CB GLU A 60 8.216 -16.254 15.179 1.00 7.20 C
ATOM 458 CG GLU A 60 8.376 -17.430 16.114 1.00 8.46 C
ATOM 459 CD GLU A 60 8.652 -18.785 15.520 1.00 9.27 C
ATOM 460 OE1 GLU A 60 8.909 -18.936 14.309 1.00 8.74 O
ATOM 461 OE2 GLU A 60 8.632 -19.750 16.331 1.00 14.98 O
ATOM 462 N MET A 61 7.520 -14.610 12.572 1.00 5.23 N
ATOM 463 CA MET A 61 7.480 -13.375 11.812 1.00 5.29 C
ATOM 464 C MET A 61 6.062 -13.086 11.321 1.00 5.67 C
ATOM 465 O MET A 61 5.627 -11.938 11.349 1.00 5.81 O
ATOM 466 CB MET A 61 8.465 -13.407 10.624 1.00 6.14 C
ATOM 467 CG MET A 61 8.381 -12.229 9.674 1.00 6.85 C
ATOM 468 SD MET A 61 8.956 -10.676 10.473 1.00 7.17 S
ATOM 469 CE MET A 61 10.657 -10.733 9.914 1.00 12.26 C
ATOM 470 N ALA A 62 5.337 -14.099 10.822 1.00 5.33 N
ATOM 471 CA ALA A 62 3.968 -13.866 10.367 1.00 5.05 C
ATOM 472 C ALA A 62 3.111 -13.379 11.519 1.00 6.06 C
ATOM 473 O ALA A 62 2.321 -12.448 11.380 1.00 6.04 O
ATOM 474 CB ALA A 62 3.411 -15.152 9.791 1.00 6.81 C
ATOM 475 N ALA A 63 3.304 -13.961 12.704 1.00 6.29 N
ATOM 476 CA ALA A 63 2.549 -13.499 13.884 1.00 5.42 C
ATOM 477 C ALA A 63 2.929 -12.086 14.268 1.00 5.64 C
ATOM 478 O ALA A 63 2.073 -11.248 14.602 1.00 6.20 O
ATOM 479 CB ALA A 63 2.754 -14.462 15.035 1.00 6.76 C
ATOM 480 N GLN A 64 4.234 -11.802 14.219 1.00 4.83 N
ATOM 481 CA GLN A 64 4.695 -10.450 14.633 1.00 5.68 C
ATOM 482 C GLN A 64 4.184 -9.381 13.671 1.00 4.78 C
ATOM 483 O GLN A 64 3.780 -8.289 14.089 1.00 5.43 O
ATOM 484 CB GLN A 64 6.224 -10.377 14.767 1.00 6.54 C
ATOM 485 CG GLN A 64 6.689 -9.204 15.635 1.00 7.12 C
ATOM 486 CD GLN A 64 6.097 -9.204 17.022 1.00 7.20 C
ATOM 487 OE1 GLN A 64 5.720 -8.137 17.582 1.00 11.09 O
ATOM 488 NE2 GLN A 64 5.934 -10.377 17.604 1.00 7.76 N
ATOM 489 N ALA A 65 4.186 -9.674 12.374 1.00 5.03 N
ATOM 490 CA ALA A 65 3.654 -8.723 11.402 1.00 5.54 C
ATOM 491 C ALA A 65 2.181 -8.437 11.724 1.00 4.96 C
ATOM 492 O ALA A 65 1.736 -7.280 11.674 1.00 5.37 O
ATOM 493 CB ALA A 65 3.836 -9.247 9.991 1.00 6.55 C
ATOM 494 N GLN A 66 1.424 -9.460 12.128 1.00 5.13 N
ATOM 495 CA GLN A 66 0.012 -9.264 12.506 1.00 6.22 C
ATOM 496 C GLN A 66 -0.123 -8.409 13.749 1.00 5.32 C
ATOM 497 O GLN A 66 -1.015 -7.555 13.851 1.00 5.79 O
ATOM 498 CB GLN A 66 -0.619 -10.637 12.696 1.00 7.42 C
ATOM 499 CG GLN A 66 -1.972 -10.793 13.337 1.00 11.10 C
ATOM 500 CD GLN A 66 -2.426 -12.238 13.526 1.00 13.13 C
ATOM 501 OE1 GLN A 66 -2.115 -12.907 14.512 1.00 14.74 O
ATOM 502 NE2 GLN A 66 -3.271 -12.673 12.577 1.00 15.93 N
ATOM 503 N SER A 67 0.746 -8.644 14.727 1.00 5.42 N
ATOM 504 CA SER A 67 0.698 -7.855 15.952 1.00 6.28 C
ATOM 505 C SER A 67 0.944 -6.392 15.673 1.00 5.70 C
ATOM 506 O SER A 67 0.227 -5.492 16.144 1.00 5.46 O
ATOM 507 CB SER A 67 1.782 -8.366 16.911 1.00 7.60 C
ATOM 508 OG SER A 67 1.439 -9.693 17.305 1.00 8.57 O
ATOM 509 N PHE A 68 2.007 -6.105 14.944 1.00 5.14 N
ATOM 510 CA PHE A 68 2.360 -4.721 14.598 1.00 5.85 C
ATOM 511 C PHE A 68 1.225 -4.032 13.873 1.00 4.78 C
ATOM 512 O PHE A 68 0.825 -2.912 14.191 1.00 5.49 O
ATOM 513 CB PHE A 68 3.619 -4.789 13.750 1.00 6.35 C
ATOM 514 CG PHE A 68 4.228 -3.447 13.369 1.00 5.13 C
ATOM 515 CD1 PHE A 68 3.799 -2.780 12.242 1.00 5.15 C
ATOM 516 CD2 PHE A 68 5.252 -2.890 14.137 1.00 5.86 C
ATOM 517 CE1 PHE A 68 4.330 -1.575 11.837 1.00 7.12 C
ATOM 518 CE2 PHE A 68 5.802 -1.672 13.764 1.00 6.82 C
ATOM 519 CZ PHE A 68 5.346 -1.051 12.613 1.00 7.51 C
ATOM 520 N LYS A 69 0.654 -4.699 12.880 1.00 4.48 N
ATOM 521 CA LYS A 69 -0.425 -4.140 12.097 1.00 5.26 C
ATOM 522 C LYS A 69 -1.622 -3.779 12.943 1.00 5.59 C
ATOM 523 O LYS A 69 -2.284 -2.781 12.655 1.00 5.33 O
ATOM 524 CB LYS A 69 -0.824 -5.115 10.985 1.00 7.17 C
ATOM 525 CG LYS A 69 -2.145 -4.882 10.304 1.00 6.59 C
ATOM 526 CD LYS A 69 -2.348 -5.867 9.138 1.00 8.27 C
ATOM 527 CE LYS A 69 -3.781 -5.975 8.678 1.00 9.64 C
ATOM 528 NZ LYS A 69 -3.997 -6.714 7.406 1.00 9.67 N
ATOM 529 N GLY A 70 -1.979 -4.644 13.879 1.00 4.91 N
ATOM 530 CA GLY A 70 -3.183 -4.359 14.627 1.00 5.54 C
ATOM 531 C GLY A 70 -3.133 -3.057 15.379 1.00 4.74 C
ATOM 532 O GLY A 70 -4.150 -2.331 15.457 1.00 6.67 O
ATOM 533 N LEU A 71 -1.974 -2.697 15.921 1.00 4.76 N
ATOM 534 CA LEU A 71 -1.841 -1.433 16.640 1.00 4.72 C
ATOM 535 C LEU A 71 -1.745 -0.249 15.693 1.00 4.42 C
ATOM 536 O LEU A 71 -2.422 0.754 15.898 1.00 6.03 O
ATOM 537 CB LEU A 71 -0.613 -1.457 17.535 1.00 5.55 C
ATOM 538 CG LEU A 71 -0.324 -0.214 18.384 1.00 6.31 C
ATOM 539 CD1 LEU A 71 -1.552 0.261 19.131 1.00 7.89 C
ATOM 540 CD2 LEU A 71 0.829 -0.515 19.353 1.00 7.71 C
ATOM 541 N VAL A 72 -1.004 -0.370 14.596 1.00 4.84 N
ATOM 542 CA VAL A 72 -0.969 0.733 13.632 1.00 5.15 C
ATOM 543 C VAL A 72 -2.363 0.979 13.081 1.00 5.72 C
ATOM 544 O VAL A 72 -2.763 2.146 12.961 1.00 6.68 O
ATOM 545 CB VAL A 72 0.032 0.469 12.487 1.00 4.69 C
ATOM 546 CG1 VAL A 72 -0.071 1.550 11.429 1.00 6.69 C
ATOM 547 CG2 VAL A 72 1.472 0.367 13.021 1.00 5.66 C
ATOM 548 N SER A 73 -3.153 -0.066 12.816 1.00 5.95 N
ATOM 549 CA SER A 73 -4.538 0.170 12.342 1.00 6.38 C
ATOM 550 C SER A 73 -5.379 0.951 13.357 1.00 5.65 C
ATOM 551 O SER A 73 -6.177 1.811 13.003 1.00 6.43 O
ATOM 552 CB SER A 73 -5.174 -1.165 12.026 1.00 6.17 C
ATOM 553 OG SER A 73 -4.575 -1.759 10.873 1.00 7.93 O
ATOM 554 N ASN A 74 -5.194 0.598 14.649 1.00 5.52 N
ATOM 555 CA ASN A 74 -5.939 1.338 15.677 1.00 6.86 C
ATOM 556 C ASN A 74 -5.555 2.800 15.751 1.00 6.57 C
ATOM 557 O ASN A 74 -6.404 3.698 15.740 1.00 8.84 O
ATOM 558 CB ASN A 74 -5.777 0.680 17.055 1.00 10.07 C
ATOM 559 CG ASN A 74 -6.780 1.293 18.020 1.00 14.14 C
ATOM 560 OD1 ASN A 74 -6.685 2.504 18.283 1.00 22.55 O
ATOM 561 ND2 ASN A 74 -7.500 0.504 18.821 1.00 26.25 N
ATOM 562 N TRP A 75 -4.261 3.086 15.667 1.00 6.58 N
ATOM 563 CA TRP A 75 -3.829 4.494 15.635 1.00 6.02 C
ATOM 564 C TRP A 75 -4.418 5.255 14.462 1.00 6.33 C
ATOM 565 O TRP A 75 -4.967 6.349 14.550 1.00 5.82 O
ATOM 566 CB TRP A 75 -2.317 4.504 15.630 1.00 6.47 C
ATOM 567 CG TRP A 75 -1.635 4.274 16.946 1.00 5.73 C
ATOM 568 CD1 TRP A 75 -2.075 4.489 18.219 1.00 5.75 C
ATOM 569 CD2 TRP A 75 -0.292 3.735 17.050 1.00 5.65 C
ATOM 570 NE1 TRP A 75 -1.112 4.131 19.148 1.00 6.53 N
ATOM 571 CE2 TRP A 75 -0.013 3.671 18.440 1.00 5.97 C
ATOM 572 CE3 TRP A 75 0.663 3.311 16.127 1.00 5.41 C
ATOM 573 CZ2 TRP A 75 1.206 3.202 18.905 1.00 5.99 C
ATOM 574 CZ3 TRP A 75 1.873 2.851 16.604 1.00 6.37 C
ATOM 575 CH2 TRP A 75 2.111 2.807 17.982 1.00 7.07 C
ATOM 576 N VAL A 76 -4.247 4.708 13.283 1.00 6.94 N
ATOM 577 CA VAL A 76 -4.583 5.398 12.049 1.00 8.30 C
ATOM 578 C VAL A 76 -6.074 5.594 11.879 1.00 7.70 C
ATOM 579 O VAL A 76 -6.563 6.528 11.218 1.00 8.89 O
ATOM 580 CB AVAL A 76 -3.975 4.537 10.909 0.50 10.90 C
ATOM 581 CB BVAL A 76 -3.802 4.822 10.876 0.50 10.58 C
ATOM 582 CG1AVAL A 76 -4.703 4.697 9.620 0.50 14.04 C
ATOM 583 CG1BVAL A 76 -2.383 4.489 11.351 0.50 11.37 C
ATOM 584 CG2AVAL A 76 -2.483 4.843 10.769 0.50 12.44 C
ATOM 585 CG2BVAL A 76 -4.473 3.581 10.329 0.50 10.97 C
ATOM 586 N ASP A 77 -6.875 4.787 12.591 1.00 6.72 N
ATOM 587 CA ASP A 77 -8.319 4.938 12.618 1.00 8.08 C
ATOM 588 C ASP A 77 -8.774 5.994 13.637 1.00 8.37 C
ATOM 589 O ASP A 77 -9.969 6.323 13.678 1.00 10.55 O
ATOM 590 CB ASP A 77 -9.020 3.610 12.913 1.00 11.00 C
ATOM 591 CG ASP A 77 -8.871 2.530 11.885 1.00 14.05 C
ATOM 592 OD1 ASP A 77 -8.712 2.855 10.700 1.00 24.08 O
ATOM 593 OD2 ASP A 77 -9.300 1.374 12.118 1.00 22.26 O
ATOM 594 N ASN A 78 -7.841 6.552 14.413 1.00 8.05 N
ATOM 595 CA ASN A 78 -8.235 7.503 15.467 1.00 7.92 C
ATOM 596 C ASN A 78 -7.449 8.790 15.451 1.00 6.67 C
ATOM 597 O ASN A 78 -7.173 9.361 16.515 1.00 6.91 O
ATOM 598 CB ASN A 78 -8.058 6.814 16.844 1.00 8.69 C
ATOM 599 CG ASN A 78 -9.168 5.813 17.075 1.00 9.11 C
ATOM 600 OD1 ASN A 78 -10.289 6.166 17.416 1.00 14.96 O
ATOM 601 ND2 ASN A 78 -8.873 4.556 16.767 1.00 10.06 N
ATOM 602 N LEU A 79 -7.056 9.261 14.281 1.00 6.72 N
ATOM 603 CA LEU A 79 -6.133 10.389 14.194 1.00 6.41 C
ATOM 604 C LEU A 79 -6.720 11.739 14.552 1.00 6.70 C
ATOM 605 O LEU A 79 -5.975 12.705 14.697 1.00 8.30 O
ATOM 606 CB LEU A 79 -5.532 10.429 12.790 1.00 7.41 C
ATOM 607 CG LEU A 79 -4.605 9.255 12.404 1.00 7.50 C
ATOM 608 CD1 LEU A 79 -4.177 9.440 10.962 1.00 9.35 C
ATOM 609 CD2 LEU A 79 -3.421 9.105 13.351 1.00 7.52 C
ATOM 610 N ASP A 80 -8.022 11.820 14.804 1.00 6.84 N
ATOM 611 CA ASP A 80 -8.611 13.033 15.349 1.00 6.53 C
ATOM 612 C ASP A 80 -8.938 12.916 16.833 1.00 6.58 C
ATOM 613 O ASP A 80 -9.621 13.783 17.407 1.00 7.75 O
ATOM 614 CB ASP A 80 -9.892 13.361 14.601 1.00 8.44 C
ATOM 615 CG ASP A 80 -9.720 13.678 13.144 1.00 8.76 C
ATOM 616 OD1 ASP A 80 -8.602 13.953 12.664 1.00 8.95 O
ATOM 617 OD2 ASP A 80 -10.749 13.692 12.448 1.00 10.08 O
ATOM 618 N ASN A 81 -8.449 11.874 17.471 1.00 6.88 N
ATOM 619 CA ASN A 81 -8.869 11.528 18.835 1.00 6.57 C
ATOM 620 C ASN A 81 -7.694 11.331 19.769 1.00 5.68 C
ATOM 621 O ASN A 81 -7.166 10.224 19.948 1.00 7.45 O
ATOM 622 CB ASN A 81 -9.693 10.256 18.775 1.00 6.10 C
ATOM 623 CG ASN A 81 -10.389 9.935 20.076 1.00 6.43 C
ATOM 624 OD1 ASN A 81 -9.984 10.439 21.112 1.00 8.57 O
ATOM 625 ND2 ASN A 81 -11.462 9.176 20.001 1.00 7.87 N
ATOM 626 N ALA A 82 -7.187 12.461 20.260 1.00 6.37 N
ATOM 627 CA ALA A 82 -6.004 12.436 21.109 1.00 6.77 C
ATOM 628 C ALA A 82 -6.157 11.499 22.284 1.00 6.51 C
ATOM 629 O ALA A 82 -5.234 10.784 22.680 1.00 7.52 O
ATOM 630 CB ALA A 82 -5.726 13.826 21.655 1.00 9.97 C
ATOM 631 N GLY A 83 -7.331 11.503 22.879 1.00 6.27 N
ATOM 632 CA GLY A 83 -7.494 10.641 24.051 1.00 6.61 C
ATOM 633 C GLY A 83 -7.422 9.163 23.756 1.00 5.62 C
ATOM 634 O GLY A 83 -6.766 8.431 24.498 1.00 7.26 O
ATOM 635 N ALA A 84 -7.984 8.769 22.604 1.00 6.71 N
ATOM 636 CA ALA A 84 -7.925 7.377 22.198 1.00 6.68 C
ATOM 637 C ALA A 84 -6.491 6.982 21.862 1.00 6.77 C
ATOM 638 O ALA A 84 -5.997 5.918 22.209 1.00 8.05 O
ATOM 639 CB ALA A 84 -8.858 7.138 21.026 1.00 6.95 C
ATOM 640 N LEU A 85 -5.808 7.893 21.159 1.00 6.69 N
ATOM 641 CA LEU A 85 -4.405 7.674 20.786 1.00 6.58 C
ATOM 642 C LEU A 85 -3.521 7.560 22.042 1.00 7.01 C
ATOM 643 O LEU A 85 -2.722 6.633 22.136 1.00 6.54 O
ATOM 644 CB LEU A 85 -3.888 8.784 19.881 1.00 5.87 C
ATOM 645 CG LEU A 85 -4.439 8.952 18.469 1.00 6.06 C
ATOM 646 CD1 LEU A 85 -3.867 10.187 17.807 1.00 7.91 C
ATOM 647 CD2 LEU A 85 -4.138 7.731 17.611 1.00 6.84 C
ATOM 648 N GLU A 86 -3.764 8.426 23.030 1.00 6.76 N
ATOM 649 CA GLU A 86 -2.976 8.407 24.246 1.00 8.14 C
ATOM 650 C GLU A 86 -3.139 7.057 24.928 1.00 6.87 C
ATOM 651 O GLU A 86 -2.202 6.502 25.514 1.00 6.85 O
ATOM 652 CB GLU A 86 -3.412 9.511 25.211 1.00 13.75 C
ATOM 653 CG GLU A 86 -2.968 10.924 24.904 1.00 22.23 C
ATOM 654 CD GLU A 86 -3.592 11.967 25.821 1.00 29.24 C
ATOM 655 OE1 GLU A 86 -3.900 11.609 26.996 1.00 38.01 O
ATOM 656 OE2 GLU A 86 -4.059 12.990 25.251 1.00 41.47 O
ATOM 657 N GLY A 87 -4.370 6.581 24.999 1.00 6.99 N